2,4,6-Trinitrophenylglutathione

(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[N-(carboxymethyl)-2,4,6-trinitroanilino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Also Known As: Tnp-glutathione|Tnp-gsh|2,4,6-Trinitrophenylglutathione|N-(4-Amino-4-carboxy-1-hydroxybutylidene)-3-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-3-[(carboxymethyl)imino]-3-hydroxypropyl}disulfanyl)alanyl-N-(2,4,6-trinitrophenyl)glycine|N-[(4S)-4-Amino-4-carboxy-1-hydroxybutylidene]-3-({(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-3-[(carboxymethyl)imino]-3-hydroxypropyl}disulfanyl)-L-alanyl-N-(2,4,6-trinitrophenyl)glycine

Molecular Formula	C26H33N9O18S2
Molecular Weight	823.1385 g/mol
LogP	-7.9
Topological Polar Surface Area	497.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	22
Rotatable Bonds	22
Exact Mass	823.1385
Monoisotopic Mass	823.1385
Heavy Atoms	55
Complexity	1460.0

Chemical Identifiers

CAS Number	86386-47-2
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])N(CC(=O)O)C(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-]
InChIKey	FFQZVOHBBONILO-AJNGGQMLSA-N